(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-[(Z)-5-(phenylcarbonyloxy)-3-(phenylcarbonylsulfanyl)pent-2-en-2-yl]azanium

Systemtic Name: (4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-[(Z)-5-(phenylcarbonyloxy)-3-(phenylcarbonylsulfanyl)pent-2-en-2-yl]azanium Openeye Name: (4-amino-2-methyl-pyrimidin-5-yl)methyl-[(Z)-4-benzoyloxy-2-benzoylsulfanyl-1-methyl-but-1-enyl]-formyl-ammonium CAS Name: (4-amino-2-methyl-5-pyrimidinyl)methyl-[(Z)-5-benzoyloxy-3-(benzoylthio)pent-2-en-2-yl]-formylammonium IUPAC Name: (4-amino-2-methylpyrimidin-5-yl)methyl-[(Z)-5-benzoyloxy-3-benzoylsulfanylpent-2-en-2-yl]-formylazanium Traditional Name: (4-amino-2-methyl-pyrimidin-5-yl)methyl-[(Z)-4-benzoyloxy-2-(benzoylthio)-1-methyl-but-1-enyl]-formyl-ammonium Formula: C26H27N4O4S+ MolecularWeight: 491.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)C[NH+](C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)C[NH+](C=O)/C(=C(/CCOC(=O)C2=CC=CC=C2)\SC(=O)C3=CC=CC=C3)/C

InChI

InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/p+1/b23-18-